5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C23H28O5 MolecularWeight: 384.46542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C2(C3CC4CC(C3)CC2C4)C5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C2(C3CC4CC(C3)CC2C4)C5=CC(=CC=C5)OC)C

InChI

InChI=1S/C23H28O5/c1-22(2)27-20(24)19(21(25)28-22)23(15-5-4-6-18(12-15)26-3)16-8-13-7-14(10-16)11-17(23)9-13/h4-6,12-14,16-17,19H,7-11H2,1-3H3